#------------------------------------------------------------------------------
#$Date: 2016-10-27 15:26:09 +0300 (Thu, 27 Oct 2016) $
#$Revision: 187625 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/02/72/7027294.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027294
loop_
_publ_author_name
'Paul, Rowena L.'
'Amoroso, Angelo J.'
'Jones, Peter L.'
'Couchman, Samantha M.'
'Reeves, Zoe R.'
'Rees, Leigh H.'
'Jeffery, John C.'
'McCleverty, Jon A.'
'Ward, Michael D.'
_publ_section_title
;
 Effects of metal co-ordination geometry on self-assembly: a monomeric
 complex with trigonal prismatic metal co-ordination vs. tetrameric
 complexes with octahedral metal co-ordination
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1563
_journal_paper_doi               10.1039/a900805e
_journal_year                    1999
_chemical_formula_sum            'C78 H84 B2 F18 N24 O8 P4 Zn4'
_chemical_formula_weight         2234.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 104.946(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.291(2)
_cell_length_b                   22.321(3)
_cell_length_c                   24.103(3)
_cell_measurement_temperature    173(2)
_cell_volume                     9508(2)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens SMART Area Detector'
_diffrn_measurement_method
'ω rotation with narrow frames (0.3 degrees)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_sigmaI/netI    0.0796
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            24571
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.165
_exptl_absorpt_correction_T_max  0.64
_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_type   'Empirical, pseudo-azimuthal scan (SADABS)'
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_description       block
_exptl_crystal_F_000             4544
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.787
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.025
_refine_ls_goodness_of_fit_obs   1.118
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         8301
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.028
_refine_ls_restrained_S_obs      1.112
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_obs          0.0592
_refine_ls_shift/esd_max         0.371
_refine_ls_shift/esd_mean        0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0767P)²+20.1303P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1643
_refine_ls_wR_factor_obs         0.1382
_reflns_number_observed          5208
_reflns_number_total             8328
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            900805esup1.cif
_cod_data_source_block           znts2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0767P)^2^+20.1303P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0767P)^2^+20.1303P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        9507.6(20)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7027294
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_attached_hydrogens
Zn1 Zn 0.94731(3) 0.03863(3) 0.85234(2) 0.0295(2) Uani 1 d . 0
Zn2 Zn 0.83869(4) 0.10685(3) 0.73263(3) 0.0343(2) Uani 1 d . 0
P1 P 1.0000 0.03403(9) 0.7500 0.0300(5) Uani 1 d S 0
O1 O 1.0381(2) -0.0024(2) 0.8026(2) 0.0437(10) Uani 1 d . 0
O2 O 0.9427(2) 0.0732(2) 0.7720(2) 0.0352(9) Uani 1 d . 0
B1 B 0.8388(4) 0.1704(3) 0.8796(3) 0.039(2) Uani 1 d . 0
H1 H 0.8075(4) 0.1955(3) 0.8991(3) 0.047 Uiso 1 calc R 0
N111 N 0.9120(3) 0.1516(2) 0.9249(2) 0.0391(12) Uani 1 d . 0
N112 N 0.9563(3) 0.1054(2) 0.9166(2) 0.0348(11) Uani 1 d . 0
C113 C 1.0084(3) 0.0969(2) 0.9667(2) 0.0356(13) Uani 1 d . 0
C114 C 0.9997(4) 0.1394(3) 1.0067(2) 0.044(2) Uani 1 d . 0
H11A H 1.0298(4) 0.1446(3) 1.0449(2) 0.052 Uiso 1 calc R 0
C115 C 0.9378(4) 0.1721(3) 0.9786(2) 0.044(2) Uani 1 d . 0
H11B H 0.9164(4) 0.2043(3) 0.9947(2) 0.052 Uiso 1 calc R 0
N121 N 1.0400(3) 0.0085(2) 0.9239(2) 0.0331(11) Uani 1 d . 0
C122 C 1.0583(3) 0.0453(3) 0.9700(2) 0.0358(13) Uani 1 d . 0
C123 C 1.1186(3) 0.0346(3) 1.0162(2) 0.0427(15) Uani 1 d . 0
H12A H 1.1305(3) 0.0618(3) 1.0476(2) 0.051 Uiso 1 calc R 0
C124 C 1.1621(4) -0.0163(3) 1.0166(3) 0.052(2) Uani 1 d . 0
H12B H 1.2037(4) -0.0250(3) 1.0484(3) 0.062 Uiso 1 calc R 0
C125 C 1.1437(3) -0.0539(3) 0.9699(3) 0.046(2) Uani 1 d . 0
H12C H 1.1728(3) -0.0889(3) 0.9689(3) 0.056 Uiso 1 calc R 0
C126 C 1.0827(3) -0.0405(3) 0.9247(2) 0.0422(14) Uani 1 d . 0
H12D H 1.0705(3) -0.0670(3) 0.8927(2) 0.051 Uiso 1 calc R 0
N211 N 0.7933(3) 0.1138(2) 0.8558(2) 0.0344(11) Uani 1 d . 0
N212 N 0.8284(3) 0.0654(2) 0.8392(2) 0.0346(11) Uani 1 d . 0
C213 C 0.7781(3) 0.0206(2) 0.8290(2) 0.0307(13) Uani 1 d . 0
C214 C 0.7090(3) 0.0402(3) 0.8370(2) 0.0392(14) Uani 1 d . 0
H21A H 0.6634(3) 0.0179(3) 0.8317(2) 0.047 Uiso 1 calc R 0
C215 C 0.7215(3) 0.0989(3) 0.8542(2) 0.0392(14) Uani 1 d . 0
H21B H 0.6852(3) 0.1248(3) 0.8636(2) 0.047 Uiso 1 calc R 0
N221 N 0.8831(2) -0.0419(2) 0.8259(2) 0.0304(10) Uani 1 d . 0
C222 C 0.8070(3) -0.0380(2) 0.8159(2) 0.0347(13) Uani 1 d . 0
C223 C 0.7600(4) -0.0855(3) 0.7951(3) 0.053(2) Uani 1 d . 0
H22A H 0.7067(4) -0.0819(3) 0.7885(3) 0.064 Uiso 1 calc R 0
C224 C 0.7924(4) -0.1388(3) 0.7839(4) 0.068(2) Uani 1 d . 0
H22B H 0.7613(4) -0.1726(3) 0.7703(4) 0.081 Uiso 1 calc R 0
C225 C 0.8691(4) -0.1426(3) 0.7926(3) 0.056(2) Uani 1 d . 0
H22C H 0.8920(4) -0.1785(3) 0.7842(3) 0.067 Uiso 1 calc R 0
C226 C 0.9128(4) -0.0930(2) 0.8138(2) 0.0400(14) Uani 1 d . 0
H22D H 0.9661(4) -0.0956(2) 0.8199(2) 0.048 Uiso 1 calc R 0
N311 N 0.8570(3) 0.2080(2) 0.8309(2) 0.0385(12) Uani 1 d . 0
N312 N 0.8612(3) 0.1857(2) 0.7797(2) 0.0359(11) Uani 1 d . 0
C313 C 0.8812(3) 0.2311(3) 0.7503(3) 0.0427(15) Uani 1 d . 0
C314 C 0.8909(4) 0.2834(3) 0.7833(3) 0.060(2) Uani 1 d . 0
H31A H 0.9052(4) 0.3219(3) 0.7731(3) 0.072 Uiso 1 calc R 0
C315 C 0.8751(4) 0.2669(3) 0.8336(3) 0.061(2) Uani 1 d . 0
H31B H 0.8766(4) 0.2926(3) 0.8653(3) 0.073 Uiso 1 calc R 0
N321 N 0.8657(3) 0.1638(2) 0.6719(2) 0.0503(14) Uani 1 d D 0
C322 C 0.8856(4) 0.2194(3) 0.6917(3) 0.054(2) Uani 1 d D 0
C323 C 0.9085(5) 0.2620(4) 0.6587(4) 0.087(3) Uani 1 d D 0
H32A H 0.9250(5) 0.3005(4) 0.6737(4) 0.104 Uiso 1 calc R 0
C324 C 0.9066(7) 0.2466(5) 0.6019(5) 0.123(5) Uani 1 d DU 0
H32B H 0.9209(7) 0.2755(5) 0.5777(5) 0.148 Uiso 1 calc R 0
C325 C 0.8841(7) 0.1901(4) 0.5804(4) 0.115(4) Uani 1 d DU 0
H32C H 0.8817(7) 0.1796(4) 0.5418(4) 0.138 Uiso 1 calc R 0
C326 C 0.8655(5) 0.1500(3) 0.6179(3) 0.078(3) Uani 1 d D 0
H32D H 0.8518(5) 0.1104(3) 0.6047(3) 0.093 Uiso 1 calc R 0
N411 N 0.8171(3) -0.0218(2) 0.6760(2) 0.0425(13) Uani 1 d . 0
H41A H 0.8654(3) -0.0301(2) 0.6810(2) 0.051 Uiso 1 calc R 0
N412 N 0.7905(3) 0.0299(2) 0.6908(2) 0.0345(11) Uani 1 d . 0
C413 C 0.7150(3) 0.0249(3) 0.6765(2) 0.0403(14) Uani 1 d . 0
C414 C 0.6936(4) -0.0311(3) 0.6518(3) 0.051(2) Uani 1 d . 0
H41B H 0.6438(4) -0.0464(3) 0.6375(3) 0.062 Uiso 1 calc R 0
C415 C 0.7605(4) -0.0589(3) 0.6526(3) 0.051(2) Uani 1 d . 0
H41C H 0.7657(4) -0.0982(3) 0.6388(3) 0.061 Uiso 1 calc R 0
N421 N 0.7147(3) 0.1221(2) 0.7163(2) 0.0344(11) Uani 1 d . 0
C422 C 0.6721(3) 0.0766(3) 0.6899(2) 0.0353(14) Uani 1 d . 0
C423 C 0.5937(3) 0.0770(3) 0.6773(3) 0.045(2) Uani 1 d . 0
H42A H 0.5647(3) 0.0439(3) 0.6588(3) 0.054 Uiso 1 calc R 0
C424 C 0.5593(4) 0.1274(3) 0.6925(3) 0.050(2) Uani 1 d . 0
H42B H 0.5057(4) 0.1295(3) 0.6841(3) 0.060 Uiso 1 calc R 0
C425 C 0.6026(4) 0.1742(3) 0.7196(3) 0.046(2) Uani 1 d . 0
H42C H 0.5795(4) 0.2089(3) 0.7304(3) 0.055 Uiso 1 calc R 0
C426 C 0.6806(3) 0.1700(3) 0.7311(2) 0.0393(14) Uani 1 d . 0
H42D H 0.7107(3) 0.2023(3) 0.7501(2) 0.047 Uiso 1 calc R 0
P2 P 0.89319(10) -0.22014(8) 0.63709(7) 0.0476(4) Uani 1 d . 0
F21 F 0.8355(3) -0.2117(4) 0.5786(2) 0.178(4) Uani 1 d U 0
F22 F 0.8942(3) -0.1506(2) 0.6488(3) 0.138(3) Uani 1 d U 0
F23 F 0.8933(4) -0.2891(2) 0.6289(3) 0.125(2) Uani 1 d . 0
F24 F 0.9600(3) -0.2129(2) 0.6073(2) 0.0905(15) Uani 1 d . 0
F25 F 0.8264(2) -0.2269(2) 0.6675(2) 0.0775(13) Uani 1 d . 0
F26 F 0.9531(2) -0.2279(2) 0.6958(2) 0.094(2) Uani 1 d . 0
P3 P 0.5000 -0.05439(12) 0.7500 0.0792(11) Uani 1 d S 0
F31 F 0.5342(3) -0.0048(3) 0.7946(4) 0.157(3) Uani 1 d U 0
F32 F 0.5344(4) -0.1048(3) 0.7934(3) 0.150(3) Uani 1 d U 0
F33 F 0.4251(3) -0.0540(2) 0.7709(3) 0.110(2) Uani 1 d U 0
C1 C 0.6861(19) -0.2803(16) 1.0715(12) 0.416(26) Uani 1 d DU 3
C2 C 0.6425(17) -0.2286(12) 1.0749(11) 0.275(16) Uani 1 d DU 2
O3 O 0.6619(7) -0.1640(6) 1.0303(8) 0.296(9) Uani 1 d DU 0
C4 C 0.6686(17) -0.0867(12) 1.0056(11) 0.304(13) Uani 1 d DU 2
C5 C 0.6640(21) -0.0888(12) 0.9434(11) 0.428(26) Uani 1 d DU 3
C6 C 0.9356(16) -0.3987(11) 0.5386(8) 0.347(18) Uani 1 d U 3
C7 C 0.8256(8) -0.3421(8) 0.4878(6) 0.165(6) Uani 1 d U 3
C8 C 0.9023(12) -0.3618(7) 0.4908(5) 0.164(7) Uani 1 d U 0
O8 O 0.9274(8) -0.3524(6) 0.4502(5) 0.232(6) Uani 1 d U 0
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Zn1 N112 113.4(2) . .
O2 Zn1 N221 98.50(15) . .
N112 Zn1 N221 137.3(2) . .
O2 Zn1 N121 133.6(2) . .
N112 Zn1 N121 75.1(2) . .
N221 Zn1 N121 103.2(2) . .
O2 Zn1 N212 87.94(15) . .
N112 Zn1 N212 78.6(2) . .
N221 Zn1 N212 74.9(2) . .
N121 Zn1 N212 137.2(2) . .
O2 Zn1 O1 63.38(13) . .
N112 Zn1 O1 132.9(2) . .
N221 Zn1 O1 86.02(15) . .
N121 Zn1 O1 77.70(14) . .
N212 Zn1 O1 142.89(14) . .
O2 Zn1 P1 31.80(10) . .
N112 Zn1 P1 132.15(13) . .
N221 Zn1 P1 89.69(12) . .
N121 Zn1 P1 107.60(11) . .
N212 Zn1 P1 115.14(11) . .
O1 Zn1 P1 31.84(9) . .
O2 Zn2 N412 98.7(2) . .
O2 Zn2 N312 91.6(2) . .
N412 Zn2 N312 165.6(2) . .
O2 Zn2 N321 100.9(2) . .
N412 Zn2 N321 108.2(2) . .
N312 Zn2 N321 79.5(2) . .
O2 Zn2 N421 157.67(15) . .
N412 Zn2 N421 75.8(2) . .
N312 Zn2 N421 90.9(2) . .
N321 Zn2 N421 101.4(2) . .
O1 P1 O1 115.1(3) . 2_756
O1 P1 O2 112.4(2) . 2_756
O1 P1 O2 102.8(2) 2_756 2_756
O1 P1 O2 102.8(2) . .
O1 P1 O2 112.4(2) 2_756 .
O2 P1 O2 111.7(3) 2_756 .
O1 P1 Zn1 59.0(2) . .
O1 P1 Zn1 123.6(2) 2_756 .
O2 P1 Zn1 132.5(2) 2_756 .
O2 P1 Zn1 44.31(13) . .
O1 P1 Zn1 123.6(2) . 2_756
O1 P1 Zn1 59.0(2) 2_756 2_756
O2 P1 Zn1 44.31(13) 2_756 2_756
O2 P1 Zn1 132.5(2) . 2_756
Zn1 P1 Zn1 175.90(8) . 2_756
P1 O1 Zn1 89.2(2) . .
P1 O2 Zn2 132.6(2) . .
P1 O2 Zn1 103.9(2) . .
Zn2 O2 Zn1 112.4(2) . .
N211 B1 N311 111.4(5) . .
N211 B1 N111 109.0(5) . .
N311 B1 N111 111.4(5) . .
C115 N111 N112 109.1(5) . .
C115 N111 B1 127.8(5) . .
N112 N111 B1 122.7(4) . .
C113 N112 N111 106.6(4) . .
C113 N112 Zn1 117.3(4) . .
N111 N112 Zn1 134.7(3) . .
N112 C113 C114 110.2(5) . .
N112 C113 C122 116.7(5) . .
C114 C113 C122 133.0(5) . .
C115 C114 C113 104.4(5) . .
N111 C115 C114 109.7(5) . .
C126 N121 C122 117.7(5) . .
C126 N121 Zn1 126.2(4) . .
C122 N121 Zn1 116.0(4) . .
N121 C122 C123 122.5(5) . .
N121 C122 C113 114.6(5) . .
C123 C122 C113 122.9(5) . .
C122 C123 C124 119.2(6) . .
C125 C124 C123 118.4(6) . .
C124 C125 C126 119.7(6) . .
N121 C126 C125 122.4(6) . .
C215 N211 N212 109.0(5) . .
C215 N211 B1 130.0(5) . .
N212 N211 B1 120.5(4) . .
C213 N212 N211 106.9(4) . .
C213 N212 Zn1 115.6(4) . .
N211 N212 Zn1 134.0(4) . .
N212 C213 C214 110.2(5) . .
N212 C213 C222 115.7(5) . .
C214 C213 C222 134.0(5) . .
C215 C214 C213 104.7(5) . .
N211 C215 C214 109.2(5) . .
C226 N221 C222 118.4(5) . .
C226 N221 Zn1 124.0(4) . .
C222 N221 Zn1 117.2(4) . .
N221 C222 C223 122.2(5) . .
N221 C222 C213 115.4(5) . .
C223 C222 C213 122.4(5) . .
C222 C223 C224 118.3(6) . .
C225 C224 C223 119.8(6) . .
C224 C225 C226 118.7(6) . .
N221 C226 C225 122.6(6) . .
N312 N311 C315 109.3(5) . .
N312 N311 B1 124.5(4) . .
C315 N311 B1 126.1(5) . .
C313 N312 N311 106.9(4) . .
C313 N312 Zn2 113.3(4) . .
N311 N312 Zn2 139.6(4) . .
N312 C313 C314 110.1(5) . .
N312 C313 C322 117.7(5) . .
C314 C313 C322 132.1(6) . .
C315 C314 C313 104.7(6) . .
N311 C315 C314 109.0(6) . .
C326 N321 C322 119.4(6) . .
C326 N321 Zn2 126.8(5) . .
C322 N321 Zn2 113.8(4) . .
N321 C322 C323 121.9(7) . .
N321 C322 C313 115.6(5) . .
C323 C322 C313 122.5(7) . .
C322 C323 C324 117.5(8) . .
C325 C324 C323 121.2(8) . .
C326 C325 C324 116.7(8) . .
N321 C326 C325 123.3(8) . .
C415 N411 N412 110.7(5) . .
N411 N412 C413 106.3(5) . .
N411 N412 Zn2 135.1(4) . .
C413 N412 Zn2 118.5(4) . .
N412 C413 C414 110.0(5) . .
N412 C413 C422 116.6(5) . .
C414 C413 C422 133.3(6) . .
C415 C414 C413 104.4(6) . .
N411 C415 C414 108.5(5) . .
C426 N421 C422 118.8(5) . .
C426 N421 Zn2 127.0(4) . .
C422 N421 Zn2 114.2(3) . .
N421 C422 C423 122.8(5) . .
N421 C422 C413 114.9(5) . .
C423 C422 C413 122.3(6) . .
C424 C423 C422 117.6(6) . .
C425 C424 C423 120.0(6) . .
C424 C425 C426 118.8(6) . .
N421 C426 C425 122.1(6) . .
F21 P2 F23 91.6(4) . .
F21 P2 F26 178.6(3) . .
F23 P2 F26 89.0(3) . .
F21 P2 F24 89.9(3) . .
F23 P2 F24 91.0(3) . .
F26 P2 F24 88.8(2) . .
F21 P2 F22 91.0(4) . .
F23 P2 F22 177.1(4) . .
F26 P2 F22 88.5(4) . .
F24 P2 F22 90.3(3) . .
F21 P2 F25 90.4(3) . .
F23 P2 F25 89.5(3) . .
F26 P2 F25 90.8(2) . .
F24 P2 F25 179.4(3) . .
F22 P2 F25 89.1(3) . .
F32 P3 F32 87.3(6) . 2_656
F32 P3 F31 91.6(4) . .
F32 P3 F31 178.7(4) 2_656 .
F32 P3 F31 178.7(4) . 2_656
F32 P3 F31 91.6(4) 2_656 2_656
F31 P3 F31 89.4(6) . 2_656
F32 P3 F33 91.3(3) . .
F32 P3 F33 89.1(3) 2_656 .
F31 P3 F33 90.2(3) . .
F31 P3 F33 89.4(3) 2_656 .
F32 P3 F33 89.1(3) . 2_656
F32 P3 F33 91.3(3) 2_656 2_656
F31 P3 F33 89.4(3) . 2_656
F31 P3 F33 90.2(3) 2_656 2_656
F33 P3 F33 179.4(4) . 2_656
C1 C2 O3 113.5(19) . .
C4 O3 C2 160.0(15) . .
C5 C4 O3 108.0(19) . .
O8 C8 C6 126.0(19) . .
O8 C8 C7 118.3(15) . .
C6 C8 C7 115.0(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 2.067(4) .
Zn1 N112 2.124(4) .
Zn1 N221 2.151(4) .
Zn1 N121 2.190(4) .
Zn1 N212 2.198(4) .
Zn1 O1 2.462(4) .
Zn1 P1 2.8724(7) .
Zn2 O2 2.037(4) .
Zn2 N412 2.069(4) .
Zn2 N312 2.076(4) .
Zn2 N321 2.091(5) .
Zn2 N421 2.225(5) .
P1 O1 1.515(4) .
P1 O1 1.515(4) 2_756
P1 O2 1.559(4) 2_756
P1 O2 1.559(4) .
P1 Zn1 2.8725(7) 2_756
B1 N211 1.541(8) .
B1 N311 1.547(8) .
B1 N111 1.552(8) .
N111 C115 1.338(7) .
N111 N112 1.358(6) .
N112 C113 1.346(7) .
C113 C114 1.391(7) .
C113 C122 1.459(8) .
C114 C115 1.370(8) .
N121 C126 1.341(7) .
N121 C122 1.353(7) .
C122 C123 1.370(8) .
C123 C124 1.386(8) .
C124 C125 1.373(8) .
C125 C126 1.376(8) .
N211 C215 1.345(7) .
N211 N212 1.368(6) .
N212 C213 1.338(7) .
C213 C214 1.397(8) .
C213 C222 1.475(7) .
C214 C215 1.376(8) .
N221 C226 1.329(7) .
N221 C222 1.352(7) .
C222 C223 1.377(8) .
C223 C224 1.385(9) .
C224 C225 1.368(9) .
C225 C226 1.383(8) .
N311 N312 1.352(6) .
N311 C315 1.353(8) .
N312 C313 1.341(7) .
C313 C314 1.398(9) .
C313 C322 1.459(9) .
C314 C315 1.366(9) .
N321 C326 1.339(8) .
N321 C322 1.345(8) .
C322 C323 1.375(9) .
C323 C324 1.402(12) .
C324 C325 1.384(14) .
C325 C326 1.375(10) .
N411 C415 1.334(7) .
N411 N412 1.337(6) .
N412 C413 1.340(7) .
C413 C414 1.396(8) .
C413 C422 1.476(8) .
C414 C415 1.369(8) .
N421 C426 1.333(7) .
N421 C422 1.337(7) .
C422 C423 1.387(8) .
C423 C424 1.383(8) .
C424 C425 1.371(9) .
C425 C426 1.384(8) .
P2 F21 1.540(5) .
P2 F23 1.553(5) .
P2 F26 1.560(5) .
P2 F24 1.577(4) .
P2 F22 1.577(5) .
P2 F25 1.586(4) .
P3 F32 1.554(6) .
P3 F32 1.554(6) 2_656
P3 F31 1.556(6) .
P3 F31 1.556(6) 2_656
P3 F33 1.578(4) .
P3 F33 1.578(4) 2_656
C1 C2 1.42(3) .
C2 O3 1.88(2) .
O3 C4 1.84(2) .
C4 C5 1.48(3) .
C6 C8 1.42(2) .
C7 C8 1.45(2) .
C8 O8 1.20(2) .
